A Multi-Component Phase Field Crystal Model for Structural Transformations in Metal Alloys

TL;DR

This paper introduces a new multi-component phase field crystal model that captures structural transformations in metal alloys, incorporating local composition effects to predict microstructure evolution.

Contribution

The paper develops a novel multi-component PFC model based on an effective correlation function, extending previous pure material models to ternary alloys.

Findings

Successfully models complex microstructure evolution

Demonstrates equilibrium properties of ternary alloy model

Shows robustness in dendritic solidification and precipitation simulations

Abstract

We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure materials [Phys. Rev. Lett. 105, 045702 (2010)]. We introduce an effective twopoint correlation function for multi-component alloys that uses the local species concentrations to interpolate between different crystal structures. A simplified version of the model is derived for the particular case of threecomponent (ternary) alloys, and its equilibrium properties are demonstrated. Dynamical equations of motion for the density and multiple species concentration fields are derived, and the robustness of the model is illustrated with examples of complex microstructure evolution in dendritic solidification and solid-state precipitation.